[3-[[3-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [3-[[3-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-methyl-propan-2-yl-azanium Openeye Name: [3-[3-(azaniumylmethyl)anilino]-3-oxo-propyl]-isopropyl-methyl-ammonium CAS Name: [3-[3-(ammoniomethyl)anilino]-3-oxopropyl]-methyl-propan-2-ylammonium IUPAC Name: [3-[3-(azaniumylmethyl)anilino]-3-oxopropyl]-methyl-propan-2-ylazanium Traditional Name: [3-[3-(ammoniomethyl)anilino]-3-keto-propyl]-isopropyl-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CCC(=O)NC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CC(C)[NH+](C)CCC(=O)NC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C14H23N3O/c1-11(2)17(3)8-7-14(18)16-13-6-4-5-12(9-13)10-15/h4-6,9,11H,7-8,10,15H2,1-3H3,(H,16,18)/p+2